5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

C15H19FN2O2S — CID 60541049

IUPAC5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1CSC(C)c1nc(C(C)C)no1
InChIInChI=1S/C15H19FN2O2S/c1-9(2)14-17-15(20-18-14)10(3)21-8-11-7-12(16)5-6-13(11)19-4/h5-7,9-10H,8H2,1-4H3
InChIKeyYKDRNVPLFCEWKU-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.34
Rot. Bonds6

About 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 60541049) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID60541049
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1CSC(C)c1nc(C(C)C)no1
InChIInChI=1S/C15H19FN2O2S/c1-9(2)14-17-15(20-18-14)10(3)21-8-11-7-12(16)5-6-13(11)19-4/h5-7,9-10H,8H2,1-4H3
InChIKeyYKDRNVPLFCEWKU-UHFFFAOYSA-N
XLogP4.34
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 60541049) is 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is COc1ccc(F)cc1CSC(C)c1nc(C(C)C)no1.
What is the InChIKey of 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is YKDRNVPLFCEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-9(2)14-17-15(20-18-14)10(3)21-8-11-7-12(16)5-6-13(11)19-4/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 310.39 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 60541049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).